4-[2-({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenyl-1-piperazinecarbothioamide

SpectraBase Compound ID	D2xw5ucocPN
InChI	InChI=1S/C26H31N7O3S/c1-2-6-24-23(25(34)32(29-24)21-9-11-22(12-10-21)33(35)36)19-27-13-14-30-15-17-31(18-16-30)26(37)28-20-7-4-3-5-8-20/h3-5,7-12,19,27H,2,6,13-18H2,1H3,(H,28,37)/b23-19+
InChIKey	RNEVIOFUHSLUKR-FCDQGJHFSA-N Google Search
Mol Weight	521.64 g/mol
Molecular Formula	C26H31N7O3S
Exact Mass	521.220909 g/mol

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SpectraBase Spectrum ID	BgiH7Af1u06
Name	4-[2-({(E)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenyl-1-piperazinecarbothioamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C26H31N7O3S/c1-2-6-24-23(25(34)32(29-24)21-9-11-22(12-10-21)33(35)36)19-27-13-14-30-15-17-31(18-16-30)26(37)28-20-7-4-3-5-8-20/h3-5,7-12,19,27H,2,6,13-18H2,1H3,(H,28,37)/b23-19+
InChIKey	RNEVIOFUHSLUKR-FCDQGJHFSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_1248
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 700691VOR8-8555; Labnumber: 700691VOR8-8555; VK_ID: VK-001249
Synonyms	4-[2-({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-phenyl-1-piperazinecarbothioamide
Temperature	308 °C